4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid

C17H17ClN2O5 — CID 155439003

IUPAC4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid
SMILESO=C(O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1NCc1ccco1
InChIInChI=1S/C17H17ClN2O5/c18-14-9-15(19-10-11-2-1-5-25-11)13(17(22)23)8-12(14)16(21)20-3-6-24-7-4-20/h1-2,5,8-9,19H,3-4,6-7,10H2,(H,22,23)
InChIKeyFWQVZPSHIPKCTF-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.72
Rot. Bonds5

About 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid

4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid (PubChem CID 155439003) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid
PubChem CID155439003
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid
SMILESO=C(O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1NCc1ccco1
InChIInChI=1S/C17H17ClN2O5/c18-14-9-15(19-10-11-2-1-5-25-11)13(17(22)23)8-12(14)16(21)20-3-6-24-7-4-20/h1-2,5,8-9,19H,3-4,6-7,10H2,(H,22,23)
InChIKeyFWQVZPSHIPKCTF-UHFFFAOYSA-N
XLogP2.72
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid?
The IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid (CID 155439003) is 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid is O=C(O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1NCc1ccco1.
What is the InChIKey of 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid?
The InChIKey is FWQVZPSHIPKCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c18-14-9-15(19-10-11-2-1-5-25-11)13(17(22)23)8-12(14)16(21)20-3-6-24-7-4-20/h1-2,5,8-9,19H,3-4,6-7,10H2,(H,22,23).
What are the key properties of 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid?
4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid has a molecular weight of 364.79 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-ylmethylamino)-5-(morpholine-4-carbonyl)benzoic acid is sourced from PubChem (CID 155439003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).